3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde

C15H12FNO — CID 79740689

IUPAC3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(C2CCc3cccnc32)c1
InChIInChI=1S/C15H12FNO/c16-14-6-3-10(9-18)8-13(14)12-5-4-11-2-1-7-17-15(11)12/h1-3,6-9,12H,4-5H2
InChIKeyMLEGKMRPOPXKHF-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.11
Rot. Bonds2

About 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde (PubChem CID 79740689) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde
PubChem CID79740689
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(C2CCc3cccnc32)c1
InChIInChI=1S/C15H12FNO/c16-14-6-3-10(9-18)8-13(14)12-5-4-11-2-1-7-17-15(11)12/h1-3,6-9,12H,4-5H2
InChIKeyMLEGKMRPOPXKHF-UHFFFAOYSA-N
XLogP3.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde (CID 79740689) is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde is O=Cc1ccc(F)c(C2CCc3cccnc32)c1.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde?
The InChIKey is MLEGKMRPOPXKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-6-3-10(9-18)8-13(14)12-5-4-11-2-1-7-17-15(11)12/h1-3,6-9,12H,4-5H2.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde?
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde has a molecular weight of 241.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde is sourced from PubChem (CID 79740689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).